Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 0 Out of Stock | Shanghai | Inquiry |
4074-55-9 / 1,3,2lambda6-benzodioxathiole 2,2-dioxide
Basic Information
CAS
4074-55-9
Multi CAS
Yes
Molecular Formula
C6H4O4S
Molecular Weight
172.160000
Exact Mass
171.983030
InChI
InChI=1S/C6H4O4S/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H
InChIKey
ORZMSMCZBZARKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
4
Molar refractivity
36.62
TPSA
52.6
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
1.4
Consensus LogP
0.9
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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